6-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine

C16H13F3N2O — CID 29091558

IUPAC6-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCCc1ccc(-c2cc(C(F)(F)F)c3c(C)noc3n2)cc1
InChIInChI=1S/C16H13F3N2O/c1-3-10-4-6-11(7-5-10)13-8-12(16(17,18)19)14-9(2)21-22-15(14)20-13/h4-8H,3H2,1-2H3
InChIKeyUCRLVVCGBGNTGY-UHFFFAOYSA-N
MW306.29 g/mol
LogP4.78
Rot. Bonds2

About 6-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine

6-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 29091558) has the molecular formula C16H13F3N2O and a molecular weight of 306.29 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
PubChem CID29091558
Molecular FormulaC16H13F3N2O
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name6-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCCc1ccc(-c2cc(C(F)(F)F)c3c(C)noc3n2)cc1
InChIInChI=1S/C16H13F3N2O/c1-3-10-4-6-11(7-5-10)13-8-12(16(17,18)19)14-9(2)21-22-15(14)20-13/h4-8H,3H2,1-2H3
InChIKeyUCRLVVCGBGNTGY-UHFFFAOYSA-N
XLogP4.78
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 6-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine (CID 29091558) is 6-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 6-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine is CCc1ccc(-c2cc(C(F)(F)F)c3c(C)noc3n2)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is UCRLVVCGBGNTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O/c1-3-10-4-6-11(7-5-10)13-8-12(16(17,18)19)14-9(2)21-22-15(14)20-13/h4-8H,3H2,1-2H3.
What are the key properties of 6-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
6-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 306.29 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 29091558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).